2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide

C16H18BrN3O3 — CID 3839796

IUPAC2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)C(N)c1nc(C(=O)NCC(=O)c2ccc(Br)cc2)co1
InChIInChI=1S/C16H18BrN3O3/c1-9(2)14(18)16-20-12(8-23-16)15(22)19-7-13(21)10-3-5-11(17)6-4-10/h3-6,8-9,14H,7,18H2,1-2H3,(H,19,22)
InChIKeyNKAUFWXCGDSNHQ-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.71
Rot. Bonds6

About 2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide

2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide (PubChem CID 3839796) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
PubChem CID3839796
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC Name2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)C(N)c1nc(C(=O)NCC(=O)c2ccc(Br)cc2)co1
InChIInChI=1S/C16H18BrN3O3/c1-9(2)14(18)16-20-12(8-23-16)15(22)19-7-13(21)10-3-5-11(17)6-4-10/h3-6,8-9,14H,7,18H2,1-2H3,(H,19,22)
InChIKeyNKAUFWXCGDSNHQ-UHFFFAOYSA-N
XLogP2.71
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-2-methylpropyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3827756
2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3850439
2-(1-amino-2-methylpropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3836320
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-aminopentyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide
CID 3692940
2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3857442
2-(1-amino-2-hydroxypropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5018208
2-(1-amino-2-methylpropyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3828610
2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3841739
methyl 2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carboxylate
CID 85299406
benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3850448

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide (CID 3839796) is 2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide is CC(C)C(N)c1nc(C(=O)NCC(=O)c2ccc(Br)cc2)co1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NKAUFWXCGDSNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-9(2)14(18)16-20-12(8-23-16)15(22)19-7-13(21)10-3-5-11(17)6-4-10/h3-6,8-9,14H,7,18H2,1-2H3,(H,19,22).
What are the key properties of 2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-N-[2-(4-bromophenyl)-2-oxoethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3839796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).